[2-oxidanylidene-2-[[2-(propan-2-ylcarbamoyl)phenyl]amino]ethyl] 2-methyl-3-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-[[2-(propan-2-ylcarbamoyl)phenyl]amino]ethyl] 2-methyl-3-nitro-benzoate Openeye Name: [2-[2-(isopropylcarbamoyl)anilino]-2-oxo-ethyl] 2-methyl-3-nitro-benzoate CAS Name: 2-methyl-3-nitrobenzoic acid [2-oxo-2-[2-[oxo-(propan-2-ylamino)methyl]anilino]ethyl] ester IUPAC Name: [2-oxo-2-[2-(propan-2-ylcarbamoyl)anilino]ethyl] 2-methyl-3-nitrobenzoate Traditional Name: 2-methyl-3-nitro-benzoic acid [2-[2-(isopropylcarbamoyl)anilino]-2-keto-ethyl] ester Formula: C20H21N3O6 MolecularWeight: 399.39724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)OCC(=O)NC2=CC=CC=C2C(=O)NC(C)C

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)OCC(=O)NC2=CC=CC=C2C(=O)NC(C)C

InChI

InChI=1S/C20H21N3O6/c1-12(2)21-19(25)15-7-4-5-9-16(15)22-18(24)11-29-20(26)14-8-6-10-17(13(14)3)23(27)28/h4-10,12H,11H2,1-3H3,(H,21,25)(H,22,24)